[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC(=CN2C)C(=O)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC(=CN2C)C(=O)C

InChI

InChI=1S/C17H24N2O4/c1-11-6-4-5-7-14(11)18-16(21)10-23-17(22)15-8-13(12(2)20)9-19(15)3/h8-9,11,14H,4-7,10H2,1-3H3,(H,18,21)/t11-,14-/m0/s1